SCHEMBL30538447

SCHEMBL30538447

CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.56
▸ GLP1R P43220 8/20 0.53
▸ SCTR P47872 1/20 0.53
▸ HCRTR1 O43613 1/20 0.52
▸ HCRTR2 O43614 1/20 0.52
▸ IL23R Q5VWK5 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29965725 1.00 CALCR (0.56) CALCRGLP1RSCTRHCRTR1HCRTR2
SCHEMBL30679581 0.91 CALCR (0.45) CALCRGLP1RSCTRHCRTR1HCRTR2
SCHEMBL29965820 0.91 CALCR (0.45) CALCRGLP1RSCTRHCRTR1HCRTR2
SCHEMBL30538459 0.91 CALCR (0.45) CALCRGLP1RSCTRHCRTR1HCRTR2
SCHEMBL30679580 0.90 CALCR (0.44) CALCRGLP1RSCTRHCRTR1HCRTR2
SCHEMBL30973951 0.90 GLP1R (0.53) CALCRGLP1RSCTRHCRTR1HCRTR2
SCHEMBL30242085 0.89 OPRD1 (0.52) GLP1R
SCHEMBL29521428 0.88 CALCR (0.58) CALCRGLP1R
SCHEMBL31005062 0.88 GLP1R (0.55) CALCRGLP1RSCTR
SCHEMBL31000893 0.87 CALCR (0.67) CALCRGLP1RSCTR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117209564-A Oligopeptide searching method, oligopeptide and modified peptide 日本瑞翁株式会社 2023-12-12 — — CN disclosed
CN-110191894-B Method for searching oligopeptide, modified peptide and immunoassay method 日本瑞翁株式会社 2023-09-05 — — CN disclosed
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